2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C22H25N5O — CID 24790704

IUPAC2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H25N5O/c1-17-4-2-3-5-20(17)22(28)25-21-8-13-24-27(21)19-9-14-26(15-10-19)16-18-6-11-23-12-7-18/h2-8,11-13,19H,9-10,14-16H2,1H3,(H,25,28)
InChIKeyHACBOSNZMTVRCT-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.68
Rot. Bonds5

About 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24790704) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24790704
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H25N5O/c1-17-4-2-3-5-20(17)22(28)25-21-8-13-24-27(21)19-9-14-26(15-10-19)16-18-6-11-23-12-7-18/h2-8,11-13,19H,9-10,14-16H2,1H3,(H,25,28)
InChIKeyHACBOSNZMTVRCT-UHFFFAOYSA-N
XLogP3.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cirtuvivint
CID 132056570
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
2-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 4436165
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11538995
3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11618330
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
CID 10114711
2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
3-[4-[[(6-Pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile
CID 10525031
(3-Methylphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10644061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24790704) is 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is HACBOSNZMTVRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-4-2-3-5-20(17)22(28)25-21-8-13-24-27(21)19-9-14-26(15-10-19)16-18-6-11-23-12-7-18/h2-8,11-13,19H,9-10,14-16H2,1H3,(H,25,28).
What are the key properties of 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24790704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).